ethyl 4-[3-[(4-methylphenyl)sulfonylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(4-methylphenyl)sulfonylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(p-tolylsulfonylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-methylphenyl)sulfonylmethyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-methylphenyl)sulfonylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(tosylmethyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O5S/c1-3-29-22(26)24-13-11-23(12-14-24)21(25)19-6-4-5-18(15-19)16-30(27,28)20-9-7-17(2)8-10-20/h4-10,15H,3,11-14,16H2,1-2H3